6-Aminopenicillanic Acid

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Properties Simple | Detailed

Formula C8H12N2O3S
IUPAC Name (2s,5r,6r)-6-amino-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
Molecular Mass 216.257 g·mol−1
Heat of Formation -434.6 ± 16.7 kJ·mol−1
Dipole Moment 3.02 ± 1.08 D
Volume 243.18 Å 3
Surface Area 213.5 Å 2
HOMO Energy -9.26 ± 0.55 eV
LUMO Energy 2.25 ± eV
Point Group Symmetry C1
Synonyms
  • ()-6-aminopenicillanic acid
  • (2s,5r,6r)-6-amino-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)heptan-2-carbonsaeure
  • (2s,5r,6r)-6-amino-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
  • (2s,5r,6r)-6-amino-7-keto-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
  • 4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 6-amino-3,3-dimethyl-7-oxo-, (2s,5r,6r)-
  • 4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-amino-3,3-dimethyl-7-oxo-, (2s,5r,6r)-
  • 4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-amino-3,3-dimethyl-7-oxo-, (2s,6r)-
  • 6-amino-2,2-dimethylpenam-3alpha-carboxylic acid
  • 6-aminopenicillamine acid
  • 6-aminopenicillanate
  • 6-apa
  • [2s-(2alpha,5alpha,6beta)]-6-amino-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
  • aminopenicillanic acid
  • penicin
  • penin
  • rel-(2r,6s)-6-amino-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
  • sr-01000640154-1
CAS Number(s)
  • 551-16-6
InChIKey NGHVIOIJCVXTGV-ALEPSDHESA-N
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